5-(1H-imidazol-5-yl)imidazolidine-2,4-dione

C6H6N4O2 — CID 57402509

IUPAC5-(1H-imidazol-5-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2cnc[nH]2)N1
InChIInChI=1S/C6H6N4O2/c11-5-4(9-6(12)10-5)3-1-7-2-8-3/h1-2,4H,(H,7,8)(H2,9,10,11,12)
InChIKeyHQZRIVXKNRQZAJ-UHFFFAOYSA-N
MW166.14 g/mol
LogP-0.71
Rot. Bonds1

About 5-(1H-imidazol-5-yl)imidazolidine-2,4-dione

5-(1H-imidazol-5-yl)imidazolidine-2,4-dione (PubChem CID 57402509) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 5-(1H-imidazol-5-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(1H-imidazol-5-yl)imidazolidine-2,4-dione
PubChem CID57402509
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name5-(1H-imidazol-5-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2cnc[nH]2)N1
InChIInChI=1S/C6H6N4O2/c11-5-4(9-6(12)10-5)3-1-7-2-8-3/h1-2,4H,(H,7,8)(H2,9,10,11,12)
InChIKeyHQZRIVXKNRQZAJ-UHFFFAOYSA-N
XLogP-0.71
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-5-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-(1H-imidazol-5-yl)imidazolidine-2,4-dione (CID 57402509) is 5-(1H-imidazol-5-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(1H-imidazol-5-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(1H-imidazol-5-yl)imidazolidine-2,4-dione is O=C1NC(=O)C(c2cnc[nH]2)N1.
What is the InChIKey of 5-(1H-imidazol-5-yl)imidazolidine-2,4-dione?
The InChIKey is HQZRIVXKNRQZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c11-5-4(9-6(12)10-5)3-1-7-2-8-3/h1-2,4H,(H,7,8)(H2,9,10,11,12).
What are the key properties of 5-(1H-imidazol-5-yl)imidazolidine-2,4-dione?
5-(1H-imidazol-5-yl)imidazolidine-2,4-dione has a molecular weight of 166.14 g/mol, XLogP of -0.71, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-5-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 57402509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).